methyl 2-[7-chloranyl-1-(2-methyl-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: methyl 2-[7-chloranyl-1-(2-methyl-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[7-chloro-1-(2-methyl-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(2-methyl-4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-1-(2-methyl-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-chloro-1-(2-methyl-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC(=O)OC

InChI

InChI=1S/C21H21ClN2O5/c1-13-10-16(24(27)28)6-7-17(13)21(26)23-9-3-4-14(11-20(25)29-2)18-12-15(22)5-8-19(18)23/h5-8,10,12,14H,3-4,9,11H2,1-2H3